CID 510425

Chembl300084

Structural Information

Molecular Formula
C8H7N5
SMILES
CN1C=C(C2=C(N=CN=C21)N)C#N
InChI
InChI=1S/C8H7N5/c1-13-3-5(2-9)6-7(10)11-4-12-8(6)13/h3-4H,1H3,(H2,10,11,12)
InChIKey
VFOASXSAIQCSMN-UHFFFAOYSA-N
Compound name
4-amino-7-methylpyrrolo[2,3-d]pyrimidine-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

19
Patents

173.07014 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.07742 135.1
[M+Na]+ 196.05936 148.1
[M-H]- 172.06286 135.0
[M+NH4]+ 191.10396 151.8
[M+K]+ 212.03330 143.8
[M+H-H2O]+ 156.06740 120.3
[M+HCOO]- 218.06834 154.3
[M+CH3COO]- 232.08399 147.1
[M+Na-2H]- 194.04481 141.6
[M]+ 173.06959 130.8
[M]- 173.07069 130.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe